N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine

C13H27NO — CID 103920888

IUPACN-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
SMILESCCCC(CC)NCCCOCC1CC1
InChIInChI=1S/C13H27NO/c1-3-6-13(4-2)14-9-5-10-15-11-12-7-8-12/h12-14H,3-11H2,1-2H3
InChIKeyNDNIMAHNKQMSPX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds10

About N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine

N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine (PubChem CID 103920888) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
PubChem CID103920888
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
SMILESCCCC(CC)NCCCOCC1CC1
InChIInChI=1S/C13H27NO/c1-3-6-13(4-2)14-9-5-10-15-11-12-7-8-12/h12-14H,3-11H2,1-2H3
InChIKeyNDNIMAHNKQMSPX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine
CID 170064981
N-[3-(cyclopropylmethoxy)propyl]butan-2-amine
CID 43206788
N-[3-(cyclopropylmethoxy)propyl]hexan-2-amine
CID 43770778
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
N-(3-cyclopentylpropyl)hexan-3-amine
CID 106008928
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
N-[3-(cyclopropylmethoxy)propyl]-1-ethoxypropan-2-amine
CID 115707824
methyl 2-[3-(cyclopropylmethoxy)propylamino]butanoate
CID 115352329
N-[[4-(aminomethyl)cyclohexyl]methyl]-N'-hexan-3-ylpropane-1,3-diamine;ethane;molecular hydrogen
CID 143882693
N-[2-(4-aminocyclohexyl)ethyl]-N'-hexan-3-ylpropane-1,3-diamine
CID 143882707
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine (CID 103920888) is N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine is CCCC(CC)NCCCOCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine?
The InChIKey is NDNIMAHNKQMSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-6-13(4-2)14-9-5-10-15-11-12-7-8-12/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine?
N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine is sourced from PubChem (CID 103920888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).